data_1unt_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1unt _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.535 3.785 0 N-CA-C 114.026 1.121 . . . . 71.030000000000001 114.026 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.1 tpt 149.53 -73.99 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 104.734 -2.321 . . . . 67.349999999999994 104.734 -122.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -20.73 -47.19 0.01 OUTLIER 'General case' 0 C--O 1.177 -2.731 0 O-C-N 124.604 1.19 . . . . 65.670000000000002 112.599 139.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . 0.583 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -73.43 -23.65 60.15 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 117.954 2.576 . . . . 78.090000000000003 117.954 173.195 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.35 -52.35 24.44 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.602 0 N-CA-C 104.612 -2.366 . . . . 55.329999999999998 104.612 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -43.08 -43.95 4.65 Favored 'General case' 0 N--CA 1.501 2.116 0 C-N-CA 128.711 2.805 . . . . 66.370000000000005 112.863 169.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -63.21 -47.3 83.12 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 123.707 1.718 . . . . 51.420000000000002 110.224 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -55.77 -46.19 77.96 Favored 'General case' 0 C--O 1.279 2.64 0 N-CA-C 117.11 2.263 . . . . 51.310000000000002 117.11 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.89 -56.64 18.21 Favored 'General case' 0 C--O 1.267 2.023 0 CA-C-N 111.611 -2.541 . . . . 38.149999999999999 113.131 174.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -46.37 -49.58 17.63 Favored 'General case' 0 CA--C 1.483 -1.606 0 O-C-N 125.353 1.658 . . . . 53.57 114.814 168.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -57.88 -44.75 86.89 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 125.106 2.384 . . . . 38.57 111.396 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.3 mt -56.47 -50.14 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.085 0 O-C-N 120.448 -1.407 . . . . 35.600000000000001 111.849 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -41.77 76.47 Favored 'General case' 0 CA--C 1.461 -2.447 0 N-CA-C 107.88 -1.155 . . . . 36.469999999999999 107.88 -178.154 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.0 t -64.01 -39.0 93.12 Favored 'General case' 0 CA--C 1.601 2.922 0 CA-C-O 126.107 2.86 . . . . 37.649999999999999 116.196 -176.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -63.29 -34.39 77.58 Favored 'General case' 0 C--O 1.17 -3.108 0 O-C-N 117.229 -3.42 . . . . 45.049999999999997 112.864 171.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.0 -42.1 94.79 Favored 'General case' 0 C--O 1.18 -2.563 0 O-C-N 121.398 -0.813 . . . . 29.809999999999999 110.069 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -63.82 -42.37 97.66 Favored 'General case' 0 C--O 1.17 -3.08 0 O-C-N 120.218 -1.551 . . . . 36.670000000000002 111.048 170.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -61.94 -38.86 90.07 Favored 'General case' 0 C--O 1.275 2.436 0 O-C-N 118.059 -2.901 . . . . 44.520000000000003 115.8 173.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.1 mt -56.65 -40.85 72.1 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 120.05 -1.656 . . . . 33.100000000000001 114.653 168.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.56 -40.36 94.46 Favored 'General case' 0 C--O 1.173 -2.945 0 N-CA-C 112.914 0.709 . . . . 47.840000000000003 112.914 173.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -64.45 -38.96 92.86 Favored 'General case' 0 C--O 1.177 -2.723 0 N-CA-C 114.9 1.444 . . . . 45.079999999999998 114.9 173.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.0 -45.98 78.86 Favored 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 122.797 1.284 . . . . 34.649999999999999 112.008 173.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.38 -35.4 68.45 Favored 'General case' 0 C--O 1.177 -2.756 0 N-CA-C 106.303 -1.74 . . . . 40.030000000000001 106.303 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.43 79.93 Favored 'General case' 0 N--CA 1.515 2.779 0 CA-C-N 119.485 1.039 . . . . 42.590000000000003 112.37 173.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . 1.609 ' CD ' ' CG ' ' A' ' 25' ' ' ARG . 2.0 mtm180 -67.94 -49.47 61.63 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 120.24 -1.538 . . . . 65.069999999999993 111.116 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mt -58.83 -44.82 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.31 0 O-C-N 120.971 -1.081 . . . . 43.280000000000001 112.091 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -56.03 -33.6 65.08 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.845 -1.159 . . . . 57.920000000000002 111.919 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -81.49 -48.81 11.36 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 107.901 -1.148 . . . . 56.770000000000003 107.901 -174.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.7 mt -46.38 -21.8 0.2 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 116.798 2.147 . . . . 58.109999999999999 116.798 170.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.44 -76.41 0.49 Allowed 'General case' 0 C--O 1.189 -2.092 0 N-CA-C 104.446 -2.427 . . . . 62.909999999999997 104.446 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.95 19.82 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.252 0 O-C-N 119.435 -2.041 . . . . 66.120000000000005 111.066 168.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . 0.904 0.0 OUTLIER . . . . . 0 C--O 1.261 1.708 1 N-CA-C 126.932 5.901 . . . . 71.340000000000003 126.932 160.948 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.126 0 N-CA-C 115.389 1.626 . . . . 77.5 115.389 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . 0.465 ' C ' ' N ' ' B' ' 4' ' ' GLN . 0.0 OUTLIER 106.0 -70.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 118.412 2.745 . . . . 83.290000000000006 118.412 165.51 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 2' ' ' MET . . . -41.34 -39.29 1.39 Allowed 'General case' 0 C--O 1.255 1.374 0 N-CA-C 103.466 -2.791 . . . . 73.090000000000003 103.466 162.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . 0.465 ' N ' ' C ' ' B' ' 2' ' ' MET . 64.6 mm-40 -71.45 -42.82 67.71 Favored 'General case' 0 CA--C 1.491 -1.326 0 N-CA-C 117.966 2.58 . . . . 69.269999999999996 117.966 -175.373 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.73 -32.37 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 O-C-N 125.69 1.869 . . . . 65.310000000000002 109.195 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . 0.38 20.0 mm-40 -91.24 -11.17 38.98 Favored 'General case' 0 C--O 1.17 -3.099 0 C-N-CA 117.043 -1.863 . . . . 62.609999999999999 107.865 -173.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -72.42 -36.47 68.6 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 120.958 -1.089 . . . . 66.819999999999993 113.795 165.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . 0.411 ' CE ' ' O ' ' B' 2012 ' ' HOH . 5.0 mmtp -76.34 -41.51 48.09 Favored 'General case' 0 C--O 1.193 -1.871 0 CA-C-N 114.049 -1.432 . . . . 60.299999999999997 109.08 177.824 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.73 73.51 Favored 'General case' 0 CA--C 1.461 -2.469 0 CA-C-O 118.431 -0.795 . . . . 45.140000000000001 111.932 171.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.291 3.5 pt-20 -66.3 -43.96 84.84 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 118.426 2.75 . . . . 66.25 118.426 175.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.47 -35.91 72.91 Favored 'General case' 0 N--CA 1.386 -3.669 0 C-N-CA 119.534 -0.866 . . . . 59.039999999999999 111.142 170.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.7 mt -66.57 -50.07 69.69 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.577 0 CA-C-O 124.031 1.872 . . . . 33.670000000000002 109.585 -178.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.3 -44.54 88.61 Favored 'General case' 0 CA--C 1.431 -3.605 0 O-C-N 120.489 -1.382 . . . . 46.259999999999998 110.499 176.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -41.62 96.69 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 117.824 -1.55 . . . . 41.490000000000002 111.16 -179.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . 0.518 ' NZ ' ' O ' ' B' 2014 ' ' HOH . 0.0 OUTLIER -59.69 -41.74 91.41 Favored 'General case' 0 C--O 1.25 1.097 0 N-CA-C 115.864 1.801 . . . . 42.829999999999998 115.864 171.857 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.86 -42.79 85.21 Favored 'General case' 0 C--O 1.189 -2.109 0 N-CA-C 117.488 2.403 . . . . 37.789999999999999 117.488 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.16 -39.27 92.08 Favored 'General case' 0 CA--C 1.426 -3.803 0 O-C-N 119.085 -2.259 . . . . 49.859999999999999 111.934 168.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -62.0 -42.24 98.94 Favored 'General case' 0 N--CA 1.529 3.51 0 CA-C-O 124.335 2.017 . . . . 40.909999999999997 109.787 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 mt -64.87 -50.53 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 O-C-N 119.159 -2.213 . . . . 30.34 112.216 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -52.11 -35.26 47.48 Favored 'General case' 1 C--O 1.146 -4.368 0 N-CA-C 115.26 1.578 . . . . 41.18 115.26 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -79.85 -32.07 40.47 Favored 'General case' 0 C--O 1.163 -3.46 0 CA-C-O 122.182 0.991 . . . . 33.479999999999997 111.626 -177.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.63 -45.34 68.71 Favored 'General case' 0 CA--C 1.464 -2.333 0 O-C-N 119.542 -1.974 . . . . 47.689999999999998 107.389 172.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.67 -39.97 78.29 Favored 'General case' 0 C--O 1.197 -1.706 0 N-CA-C 115.275 1.583 . . . . 35.539999999999999 115.275 175.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.86 97.81 Favored 'General case' 0 CA--C 1.484 -1.58 0 C-N-CA 124.836 1.254 . . . . 36.600000000000001 109.143 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -60.4 -41.26 93.48 Favored 'General case' 0 C--O 1.261 1.663 0 C-N-CA 125.027 1.331 . . . . 71.140000000000001 113.317 174.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.09 -44.27 84.66 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.231 0 O-C-N 120.797 -1.189 . . . . 41.350000000000001 110.281 177.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -59.06 -44.28 91.83 Favored 'General case' 0 C--O 1.155 -3.914 0 C-N-CA 118.64 -1.224 . . . . 58.200000000000003 110.364 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -66.48 -37.84 85.97 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 115.036 1.495 . . . . 57.240000000000002 115.036 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . . . -53.38 -57.68 9.76 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.517 1.127 . . . . 59.310000000000002 111.095 166.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.39 114.64 5.57 Favored 'General case' 0 CA--C 1.615 3.457 0 O-C-N 120.362 -1.462 . . . . 66.609999999999999 111.299 168.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . 0.667 ' N ' ' CA ' ' B' ' 32' ' ' GLU . . . 99.31 55.18 1.05 Allowed Glycine 0 N--CA 1.507 3.375 1 O-C-N 115.901 -4.249 . . . . 68.780000000000001 112.97 -144.179 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . 0.667 ' CA ' ' N ' ' B' ' 31' ' ' GLY . . . -176.05 125.5 0.2 Allowed 'General case' 0 CA--C 1.454 -2.716 0 O-C-N 119.036 -2.449 . . . . 73.25 114.595 -18.135 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 C-N-CA 126.086 1.754 . . . . 73.040000000000006 113.105 10.691 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2012 ' ' HOH . . . . . 0.411 ' O ' ' CE ' ' B' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2014 ' ' HOH . . . . . 0.518 ' O ' ' NZ ' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.535 3.785 0 N-CA-C 114.026 1.121 . . . . 71.030000000000001 114.026 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.1 tpt 149.53 -73.99 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 104.734 -2.321 . . . . 67.349999999999994 104.734 -122.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -20.73 -47.19 0.01 OUTLIER 'General case' 0 C--O 1.177 -2.731 0 O-C-N 124.604 1.19 . . . . 65.670000000000002 112.599 139.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . 0.479 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -73.43 -23.65 60.15 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 117.954 2.576 . . . . 78.090000000000003 117.954 173.195 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 11.3 mt -72.35 -52.35 24.44 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.602 0 N-CA-C 104.612 -2.366 . . . . 55.329999999999998 104.612 -178.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 16.8 tt0 -43.08 -43.95 4.65 Favored 'General case' 0 N--CA 1.501 2.116 0 C-N-CA 128.711 2.805 . . . . 66.370000000000005 112.863 169.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -63.21 -47.3 83.12 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 123.707 1.718 . . . . 51.420000000000002 110.224 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 5' ' ' ILE . 9.8 tppt? -55.77 -46.19 77.96 Favored 'General case' 0 C--O 1.279 2.64 0 N-CA-C 117.11 2.263 . . . . 51.310000000000002 117.11 171.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.89 -56.64 18.21 Favored 'General case' 0 C--O 1.267 2.023 0 CA-C-N 111.611 -2.541 . . . . 38.149999999999999 113.131 174.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 42.9 mt-10 -46.37 -49.58 17.63 Favored 'General case' 0 CA--C 1.483 -1.606 0 O-C-N 125.353 1.658 . . . . 53.57 114.814 168.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -57.88 -44.75 86.89 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 125.106 2.384 . . . . 38.57 111.396 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.3 mt -56.47 -50.14 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.085 0 O-C-N 120.448 -1.407 . . . . 35.600000000000001 111.849 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -41.77 76.47 Favored 'General case' 0 CA--C 1.461 -2.447 0 N-CA-C 107.88 -1.155 . . . . 36.469999999999999 107.88 -178.154 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.0 t -64.01 -39.0 93.12 Favored 'General case' 0 CA--C 1.601 2.922 0 CA-C-O 126.107 2.86 . . . . 37.649999999999999 116.196 -176.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -63.29 -34.39 77.58 Favored 'General case' 0 C--O 1.17 -3.108 0 O-C-N 117.229 -3.42 . . . . 45.049999999999997 112.864 171.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.0 -42.1 94.79 Favored 'General case' 0 C--O 1.18 -2.563 0 O-C-N 121.398 -0.813 . . . . 29.809999999999999 110.069 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CE1' ' HE2' ' B' ' 15' ' ' LYS . 35.6 m-85 -63.82 -42.37 97.66 Favored 'General case' 0 C--O 1.17 -3.08 0 O-C-N 120.218 -1.551 . . . . 36.670000000000002 111.048 170.59 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -61.94 -38.86 90.07 Favored 'General case' 0 C--O 1.275 2.436 0 O-C-N 118.059 -2.901 . . . . 44.520000000000003 115.8 173.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.1 mt -56.65 -40.85 72.1 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 120.05 -1.656 . . . . 33.100000000000001 114.653 168.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.56 -40.36 94.46 Favored 'General case' 0 C--O 1.173 -2.945 0 N-CA-C 112.914 0.709 . . . . 47.840000000000003 112.914 173.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -64.45 -38.96 92.86 Favored 'General case' 0 C--O 1.177 -2.723 0 N-CA-C 114.9 1.444 . . . . 45.079999999999998 114.9 173.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.0 -45.98 78.86 Favored 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 122.797 1.284 . . . . 34.649999999999999 112.008 173.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.38 -35.4 68.45 Favored 'General case' 0 C--O 1.177 -2.756 0 N-CA-C 106.303 -1.74 . . . . 40.030000000000001 106.303 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.43 79.93 Favored 'General case' 0 N--CA 1.515 2.779 0 CA-C-N 119.485 1.039 . . . . 42.590000000000003 112.37 173.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 1.609 ' CD ' ' CG ' ' A' ' 25' ' ' ARG . 2.0 mtm180 -67.94 -49.47 61.63 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 120.24 -1.538 . . . . 65.069999999999993 111.116 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mt -58.83 -44.82 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.31 0 O-C-N 120.971 -1.081 . . . . 43.280000000000001 112.091 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -56.03 -33.6 65.08 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.845 -1.159 . . . . 57.920000000000002 111.919 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -81.49 -48.81 11.36 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 107.901 -1.148 . . . . 56.770000000000003 107.901 -174.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.7 mt -46.38 -21.8 0.2 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 116.798 2.147 . . . . 58.109999999999999 116.798 170.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.44 -76.41 0.49 Allowed 'General case' 0 C--O 1.189 -2.092 0 N-CA-C 104.446 -2.427 . . . . 62.909999999999997 104.446 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.95 19.82 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.252 0 O-C-N 119.435 -2.041 . . . . 66.120000000000005 111.066 168.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . 0.904 0.0 OUTLIER . . . . . 0 C--O 1.261 1.708 1 N-CA-C 126.932 5.901 . . . . 71.340000000000003 126.932 160.948 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.126 0 N-CA-C 115.389 1.626 . . . . 77.5 115.389 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.465 ' C ' ' N ' ' B' ' 4' ' ' GLN . 0.0 OUTLIER 106.0 -70.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 118.412 2.745 . . . . 83.290000000000006 118.412 165.51 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 2' ' ' MET . . . -41.34 -39.29 1.39 Allowed 'General case' 0 C--O 1.255 1.374 0 N-CA-C 103.466 -2.791 . . . . 73.090000000000003 103.466 162.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.465 ' N ' ' C ' ' B' ' 2' ' ' MET . 64.6 mm-40 -71.45 -42.82 67.71 Favored 'General case' 0 CA--C 1.491 -1.326 0 N-CA-C 117.966 2.58 . . . . 69.269999999999996 117.966 -175.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.73 -32.37 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 O-C-N 125.69 1.869 . . . . 65.310000000000002 109.195 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . 0.38 20.0 mm-40 -91.24 -11.17 38.98 Favored 'General case' 0 C--O 1.17 -3.099 0 C-N-CA 117.043 -1.863 . . . . 62.609999999999999 107.865 -173.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 46.0 m-20 -72.42 -36.47 68.6 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 120.958 -1.089 . . . . 66.819999999999993 113.795 165.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' O ' ' B' 2012 ' ' HOH . 5.0 mmtp -76.34 -41.51 48.09 Favored 'General case' 0 C--O 1.193 -1.871 0 CA-C-N 114.049 -1.432 . . . . 60.299999999999997 109.08 177.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.73 73.51 Favored 'General case' 0 CA--C 1.461 -2.469 0 CA-C-O 118.431 -0.795 . . . . 45.140000000000001 111.932 171.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.291 3.5 pt-20 -66.3 -43.96 84.84 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 118.426 2.75 . . . . 66.25 118.426 175.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' B' ' 7' ' ' ASP . 40.5 mt-10 -58.47 -35.91 72.91 Favored 'General case' 0 N--CA 1.386 -3.669 0 C-N-CA 119.534 -0.866 . . . . 59.039999999999999 111.142 170.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.7 mt -66.57 -50.07 69.69 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.577 0 CA-C-O 124.031 1.872 . . . . 33.670000000000002 109.585 -178.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.3 -44.54 88.61 Favored 'General case' 0 CA--C 1.431 -3.605 0 O-C-N 120.489 -1.382 . . . . 46.259999999999998 110.499 176.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -41.62 96.69 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 117.824 -1.55 . . . . 41.490000000000002 111.16 -179.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.732 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -59.69 -41.74 91.41 Favored 'General case' 0 C--O 1.25 1.097 0 N-CA-C 115.864 1.801 . . . . 42.829999999999998 115.864 171.857 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.86 -42.79 85.21 Favored 'General case' 0 C--O 1.189 -2.109 0 N-CA-C 117.488 2.403 . . . . 37.789999999999999 117.488 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.16 -39.27 92.08 Favored 'General case' 0 CA--C 1.426 -3.803 0 O-C-N 119.085 -2.259 . . . . 49.859999999999999 111.934 168.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -62.0 -42.24 98.94 Favored 'General case' 0 N--CA 1.529 3.51 0 CA-C-O 124.335 2.017 . . . . 40.909999999999997 109.787 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 mt -64.87 -50.53 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 O-C-N 119.159 -2.213 . . . . 30.34 112.216 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -52.11 -35.26 47.48 Favored 'General case' 1 C--O 1.146 -4.368 0 N-CA-C 115.26 1.578 . . . . 41.18 115.26 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -79.85 -32.07 40.47 Favored 'General case' 0 C--O 1.163 -3.46 0 CA-C-O 122.182 0.991 . . . . 33.479999999999997 111.626 -177.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.63 -45.34 68.71 Favored 'General case' 0 CA--C 1.464 -2.333 0 O-C-N 119.542 -1.974 . . . . 47.689999999999998 107.389 172.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.67 -39.97 78.29 Favored 'General case' 0 C--O 1.197 -1.706 0 N-CA-C 115.275 1.583 . . . . 35.539999999999999 115.275 175.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.86 97.81 Favored 'General case' 0 CA--C 1.484 -1.58 0 C-N-CA 124.836 1.254 . . . . 36.600000000000001 109.143 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -60.4 -41.26 93.48 Favored 'General case' 0 C--O 1.261 1.663 0 C-N-CA 125.027 1.331 . . . . 71.140000000000001 113.317 174.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.09 -44.27 84.66 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.231 0 O-C-N 120.797 -1.189 . . . . 41.350000000000001 110.281 177.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -59.06 -44.28 91.83 Favored 'General case' 0 C--O 1.155 -3.914 0 C-N-CA 118.64 -1.224 . . . . 58.200000000000003 110.364 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -66.48 -37.84 85.97 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 115.036 1.495 . . . . 57.240000000000002 115.036 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . . . -53.38 -57.68 9.76 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.517 1.127 . . . . 59.310000000000002 111.095 166.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.39 114.64 5.57 Favored 'General case' 0 CA--C 1.615 3.457 0 O-C-N 120.362 -1.462 . . . . 66.609999999999999 111.299 168.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . 0.667 ' N ' ' CA ' ' B' ' 32' ' ' GLU . . . 99.31 55.18 1.05 Allowed Glycine 0 N--CA 1.507 3.375 1 O-C-N 115.901 -4.249 . . . . 68.780000000000001 112.97 -144.179 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . 0.667 ' CA ' ' N ' ' B' ' 31' ' ' GLY . . . -176.05 125.5 0.2 Allowed 'General case' 0 CA--C 1.454 -2.716 0 O-C-N 119.036 -2.449 . . . . 73.25 114.595 -18.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 C-N-CA 126.086 1.754 . . . . 73.040000000000006 113.105 10.691 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2012 ' ' HOH . . . . . 0.49 ' O ' ' HE2' ' B' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2014 ' ' HOH . . . . . 0.514 ' O ' ' NZ ' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.535 3.785 0 N-CA-C 114.026 1.121 . . . . 71.030000000000001 114.026 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.1 tpt 149.53 -73.99 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 104.734 -2.321 . . . . 67.349999999999994 104.734 -122.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -20.73 -47.19 0.01 OUTLIER 'General case' 0 C--O 1.177 -2.731 0 O-C-N 124.604 1.19 . . . . 65.670000000000002 112.599 139.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.479 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -73.43 -23.65 60.15 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 117.954 2.576 . . . . 78.090000000000003 117.954 173.195 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 11.3 mt -72.35 -52.35 24.44 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.602 0 N-CA-C 104.612 -2.366 . . . . 55.329999999999998 104.612 -178.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 16.8 tt0 -43.08 -43.95 4.65 Favored 'General case' 0 N--CA 1.501 2.116 0 C-N-CA 128.711 2.805 . . . . 66.370000000000005 112.863 169.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -63.21 -47.3 83.12 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 123.707 1.718 . . . . 51.420000000000002 110.224 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 5' ' ' ILE . 9.8 tppt? -55.77 -46.19 77.96 Favored 'General case' 0 C--O 1.279 2.64 0 N-CA-C 117.11 2.263 . . . . 51.310000000000002 117.11 171.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.89 -56.64 18.21 Favored 'General case' 0 C--O 1.267 2.023 0 CA-C-N 111.611 -2.541 . . . . 38.149999999999999 113.131 174.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 42.9 mt-10 -46.37 -49.58 17.63 Favored 'General case' 0 CA--C 1.483 -1.606 0 O-C-N 125.353 1.658 . . . . 53.57 114.814 168.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -57.88 -44.75 86.89 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 125.106 2.384 . . . . 38.57 111.396 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.3 mt -56.47 -50.14 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.085 0 O-C-N 120.448 -1.407 . . . . 35.600000000000001 111.849 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -41.77 76.47 Favored 'General case' 0 CA--C 1.461 -2.447 0 N-CA-C 107.88 -1.155 . . . . 36.469999999999999 107.88 -178.154 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.0 t -64.01 -39.0 93.12 Favored 'General case' 0 CA--C 1.601 2.922 0 CA-C-O 126.107 2.86 . . . . 37.649999999999999 116.196 -176.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -63.29 -34.39 77.58 Favored 'General case' 0 C--O 1.17 -3.108 0 O-C-N 117.229 -3.42 . . . . 45.049999999999997 112.864 171.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.0 -42.1 94.79 Favored 'General case' 0 C--O 1.18 -2.563 0 O-C-N 121.398 -0.813 . . . . 29.809999999999999 110.069 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CE1' ' HE2' ' B' ' 15' ' ' LYS . 35.6 m-85 -63.82 -42.37 97.66 Favored 'General case' 0 C--O 1.17 -3.08 0 O-C-N 120.218 -1.551 . . . . 36.670000000000002 111.048 170.59 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -61.94 -38.86 90.07 Favored 'General case' 0 C--O 1.275 2.436 0 O-C-N 118.059 -2.901 . . . . 44.520000000000003 115.8 173.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.1 mt -56.65 -40.85 72.1 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 O-C-N 120.05 -1.656 . . . . 33.100000000000001 114.653 168.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.551 ' OE2' ' HD2' ' B' ' 18' ' ' HIS . 6.8 mm-40 -61.56 -40.36 94.46 Favored 'General case' 0 C--O 1.173 -2.945 0 N-CA-C 112.914 0.709 . . . . 47.840000000000003 112.914 173.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -64.45 -38.96 92.86 Favored 'General case' 0 C--O 1.177 -2.723 0 N-CA-C 114.9 1.444 . . . . 45.079999999999998 114.9 173.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.0 -45.98 78.86 Favored 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 122.797 1.284 . . . . 34.649999999999999 112.008 173.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.38 -35.4 68.45 Favored 'General case' 0 C--O 1.177 -2.756 0 N-CA-C 106.303 -1.74 . . . . 40.030000000000001 106.303 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.43 79.93 Favored 'General case' 0 N--CA 1.515 2.779 0 CA-C-N 119.485 1.039 . . . . 42.590000000000003 112.37 173.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 1.609 ' CD ' ' CG ' ' A' ' 25' ' ' ARG . 2.0 mtm180 -67.94 -49.47 61.63 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 120.24 -1.538 . . . . 65.069999999999993 111.116 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mt -58.83 -44.82 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.31 0 O-C-N 120.971 -1.081 . . . . 43.280000000000001 112.091 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -56.03 -33.6 65.08 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.845 -1.159 . . . . 57.920000000000002 111.919 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -81.49 -48.81 11.36 Favored 'General case' 0 CA--C 1.487 -1.453 0 N-CA-C 107.901 -1.148 . . . . 56.770000000000003 107.901 -174.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.7 mt -46.38 -21.8 0.2 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 116.798 2.147 . . . . 58.109999999999999 116.798 170.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.44 -76.41 0.49 Allowed 'General case' 0 C--O 1.189 -2.092 0 N-CA-C 104.446 -2.427 . . . . 62.909999999999997 104.446 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.95 19.82 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.252 0 O-C-N 119.435 -2.041 . . . . 66.120000000000005 111.066 168.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . 0.904 0.0 OUTLIER . . . . . 0 C--O 1.261 1.708 1 N-CA-C 126.932 5.901 . . . . 71.340000000000003 126.932 160.948 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.126 0 N-CA-C 115.389 1.626 . . . . 77.5 115.389 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.465 ' C ' ' N ' ' B' ' 4' ' ' GLN . 0.0 OUTLIER 106.0 -70.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 118.412 2.745 . . . . 83.290000000000006 118.412 165.51 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 2' ' ' MET . . . -41.34 -39.29 1.39 Allowed 'General case' 0 C--O 1.255 1.374 0 N-CA-C 103.466 -2.791 . . . . 73.090000000000003 103.466 162.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.465 ' N ' ' C ' ' B' ' 2' ' ' MET . 64.6 mm-40 -71.45 -42.82 67.71 Favored 'General case' 0 CA--C 1.491 -1.326 0 N-CA-C 117.966 2.58 . . . . 69.269999999999996 117.966 -175.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.73 -32.37 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 O-C-N 125.69 1.869 . . . . 65.310000000000002 109.195 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . 0.38 20.0 mm-40 -91.24 -11.17 38.98 Favored 'General case' 0 C--O 1.17 -3.099 0 C-N-CA 117.043 -1.863 . . . . 62.609999999999999 107.865 -173.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' B' ' 11' ' ' GLU . 46.0 m-20 -72.42 -36.47 68.6 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 120.958 -1.089 . . . . 66.819999999999993 113.795 165.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' O ' ' B' 2012 ' ' HOH . 5.0 mmtp -76.34 -41.51 48.09 Favored 'General case' 0 C--O 1.193 -1.871 0 CA-C-N 114.049 -1.432 . . . . 60.299999999999997 109.08 177.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.73 73.51 Favored 'General case' 0 CA--C 1.461 -2.469 0 CA-C-O 118.431 -0.795 . . . . 45.140000000000001 111.932 171.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . 0.291 3.5 pt-20 -66.3 -43.96 84.84 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 118.426 2.75 . . . . 66.25 118.426 175.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' B' ' 7' ' ' ASP . 40.5 mt-10 -58.47 -35.91 72.91 Favored 'General case' 0 N--CA 1.386 -3.669 0 C-N-CA 119.534 -0.866 . . . . 59.039999999999999 111.142 170.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.7 mt -66.57 -50.07 69.69 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.577 0 CA-C-O 124.031 1.872 . . . . 33.670000000000002 109.585 -178.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.3 -44.54 88.61 Favored 'General case' 0 CA--C 1.431 -3.605 0 O-C-N 120.489 -1.382 . . . . 46.259999999999998 110.499 176.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -41.62 96.69 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 117.824 -1.55 . . . . 41.490000000000002 111.16 -179.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.732 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -59.69 -41.74 91.41 Favored 'General case' 0 C--O 1.25 1.097 0 N-CA-C 115.864 1.801 . . . . 42.829999999999998 115.864 171.857 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.86 -42.79 85.21 Favored 'General case' 0 C--O 1.189 -2.109 0 N-CA-C 117.488 2.403 . . . . 37.789999999999999 117.488 173.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.16 -39.27 92.08 Favored 'General case' 0 CA--C 1.426 -3.803 0 O-C-N 119.085 -2.259 . . . . 49.859999999999999 111.934 168.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.551 ' HD2' ' OE2' ' A' ' 20' ' ' GLU . 25.3 t60 -62.0 -42.24 98.94 Favored 'General case' 0 N--CA 1.529 3.51 0 CA-C-O 124.335 2.017 . . . . 40.909999999999997 109.787 179.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 36.3 mt -64.87 -50.53 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 O-C-N 119.159 -2.213 . . . . 30.34 112.216 179.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -52.11 -35.26 47.48 Favored 'General case' 1 C--O 1.146 -4.368 0 N-CA-C 115.26 1.578 . . . . 41.18 115.26 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -79.85 -32.07 40.47 Favored 'General case' 0 C--O 1.163 -3.46 0 CA-C-O 122.182 0.991 . . . . 33.479999999999997 111.626 -177.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.63 -45.34 68.71 Favored 'General case' 0 CA--C 1.464 -2.333 0 O-C-N 119.542 -1.974 . . . . 47.689999999999998 107.389 172.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.67 -39.97 78.29 Favored 'General case' 0 C--O 1.197 -1.706 0 N-CA-C 115.275 1.583 . . . . 35.539999999999999 115.275 175.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.86 97.81 Favored 'General case' 0 CA--C 1.484 -1.58 0 C-N-CA 124.836 1.254 . . . . 36.600000000000001 109.143 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -60.4 -41.26 93.48 Favored 'General case' 0 C--O 1.261 1.663 0 C-N-CA 125.027 1.331 . . . . 71.140000000000001 113.317 174.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.09 -44.27 84.66 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.231 0 O-C-N 120.797 -1.189 . . . . 41.350000000000001 110.281 177.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -59.06 -44.28 91.83 Favored 'General case' 0 C--O 1.155 -3.914 0 C-N-CA 118.64 -1.224 . . . . 58.200000000000003 110.364 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -66.48 -37.84 85.97 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 115.036 1.495 . . . . 57.240000000000002 115.036 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . . . -53.38 -57.68 9.76 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.517 1.127 . . . . 59.310000000000002 111.095 166.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.39 114.64 5.57 Favored 'General case' 0 CA--C 1.615 3.457 0 O-C-N 120.362 -1.462 . . . . 66.609999999999999 111.299 168.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.667 ' N ' ' CA ' ' B' ' 32' ' ' GLU . . . 99.31 55.18 1.05 Allowed Glycine 0 N--CA 1.507 3.375 1 O-C-N 115.901 -4.249 . . . . 68.780000000000001 112.97 -144.179 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.667 ' CA ' ' N ' ' B' ' 31' ' ' GLY . . . -176.05 125.5 0.2 Allowed 'General case' 0 CA--C 1.454 -2.716 0 O-C-N 119.036 -2.449 . . . . 73.25 114.595 -18.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 C-N-CA 126.086 1.754 . . . . 73.040000000000006 113.105 10.691 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2012 ' ' HOH . . . . . 0.49 ' O ' ' HE2' ' B' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2014 ' ' HOH . . . . . 0.514 ' O ' ' NZ ' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_